- InChI
- InChI=1S/C15H18F5NO/c1-2-3-4-5-6-7-8-21-15(22)9-10(16)12(18)14(20)13(19)11(9)17/h2-8H2,1H3,(H,21,22)
- InChI Key
- LUGHWPTZTPSUOE-UHFFFAOYSA-N
- Formula
- C15H18F5NO
- SMILES
-
CCCCCCCCNC(=O)c1c(F)c(F)c(F)c(
F)c1F - Molecular Weight1
- 323.30
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8264 | Relay (... Calculated Property | |
| ΔfG° | -873.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1035.29 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 48.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.49 | kJ/mol | Relay (... Calculated Property |
| IE | 9.43 | eV | Relay (... Calculated Property |
| log10WS | -6.73 | Relay (... Calculated Property | |
| logPoct/wat | 4.472 | Crippen Calculated Property | |
| McVol | 218.850 | ml/mol | McGowan Calculated Property |
| Pc | 1536.66 | kPa | Joback Calculated Property |
| Inp | [1896.00; 1896.00] |
|
|
| Inp | 1896.00 | NIST | |
| Inp | 1896.00 | NIST | |
| Tboil | 565.72 | K | Relay (... Calculated Property |
| Tc | 773.62 | K | Relay (... Calculated Property |
| Tfus | 334.58 | K | Relay (... Calculated Property |
| Vc | 0.820 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [612.14; 681.65] | J/mol×K | [694.57; 867.56] |
|
| Cp,gas | 612.14 | J/mol×K | 694.57 | Joback Calculated Property |
| Cp,gas | 625.29 | J/mol×K | 723.40 | Joback Calculated Property |
| Cp,gas | 637.79 | J/mol×K | 752.23 | Joback Calculated Property |
| Cp,gas | 649.67 | J/mol×K | 781.07 | Joback Calculated Property |
| Cp,gas | 660.93 | J/mol×K | 809.90 | Joback Calculated Property |
| Cp,gas | 671.58 | J/mol×K | 838.73 | Joback Calculated Property |
| Cp,gas | 681.65 | J/mol×K | 867.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, pentafluoro-N-octyl-.
Sources
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